0 mol 12 unq 0 iso 0 dist 5.86346 6.16894 9.99955 4.85969 7.57142 4.62913 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.86346 5.93993 9.78092 4.85969 7.57142 7.44542 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.68599 11.5528 6.42931 12.1562 5.91275 8.45063 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.34433 10.5808 6.76674 13.3436 5.41731 5.44077 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.63207 7.27221 6.76674 7.7961 5.41731 5.44077 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 9.1916 9.57468 8.88417 16.6671 14.8167 7.21809 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 9.1916 9.57468 8.88417 12.5651 12.8471 5.69055 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 8.32033 11.6291 8.88417 13.7096 6.98398 8.29328 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 6.88956 5.9722 5.24823 4.9418 4.36597 6.36357 numMergedOcc 0
9 mol 103 unq 1 iso 0 dist 6.88956 5.9722 5.24823 5.7953 5.3449 5.52999 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.5214 14.0554 9.95547 17.484 8.67578 9.60268 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 9.5214 14.0554 9.95547 14.3946 5.21399 8.79954 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.42226 6.78172 7.29651 9.51189 7.05604 5.31333 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 5.98787 9.14625 9.94746 12.3231 9.79986 8.60259 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.05254 9.58407 7.36542 13.992 7.98435 8.04934 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 8.05254 9.58407 7.36542 8.31187 4.75777 5.9919 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 6.85288 5.98914 7.06381 12.7547 8.51381 8.299 numMergedOcc 0
17 mol 293 unq 0 iso 0 dist 9.92737 5.86603 9.15753 11.4127 6.89397 6.83404 numMergedOcc 0
